14βH-scalarane-17α-19-diol

Chemical Formula:

C₂₅H₄₄O₂

Molecular Weight:

376.621 Daltons

Monoisotopic Mass:

376.3341306566 Daltons

SMILES:

CC1(C)(C2(CCC3(C)([CH]4(CCC(O)(C)C(CO)C(C)(CCC(C(C)(CCC1)2)3)4))))

InChI:

1S/C25H44O2/c1-21(2)11-7-12-22(3)17(21)8-13-23(4)18(22)9-14-24(5)19(23)10-15-25(6,27)20(24)16-26/h17-20,26-27H,7-16H2,1-6H3/t17?,18?,19-,20-,22+,23-,24+,25-/m1/s1

InChIKey:

VZNYYJUVKNBHLF-TYYWNJPKSA-N

Databases

MetaCyc: CPD-16980

PubChem (CID): 90658995

MetaNetX: MNXM148605